Geometry & MOs

Info

ID:	434764
PubChem CID:	135175670
Reduced:	SF2N3O5C35H37 (1)
Stoich.:	AB2C3D5E35F37 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-227.51
Dipole, Da:	6.35
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)OC6=CC=CC=C6)(F)F

DOS

IR

Vibrations